(3S)-2,5-Dioxooxolan-3-yl acetate

C6H6O5CAS 59025-03-5158.11 g/mol

Open in Covalent MOL file
OOOOO
Acid anhydrideEster

Properties

Molecular formula
C6H6O5
Molar mass
158.11 g/mol
Exact mass
158.0215 Da
logP
-0.61Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
59025-03-5
SMILES
CC(=O)O[C@H]1CC(=O)OC1=O
InChIKey
SSWJHSASZZAIAU-BYPYZUCNSA-N
InChI
InChI=1S/C6H6O5/c1-3(7)10-4-2-5(8)11-6(4)9/h4H,2H2,1H3/t4-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (-)-O-Acetyl-L-malic anhydride

Work with (3S)-2,5-Dioxooxolan-3-yl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-7Enantiomer

Similar compounds

(+)-Diacetyl-L-tartaric anhydride6283-74-548 % similar D-Diacetyltartaric anhydride70728-23-348 % similar Methylsuccinic anhydride4100-80-547 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-047 % similar S-Acetylmercaptosuccinic anhydride6953-60-243 % similar 1-Bromoethyl acetate40258-78-439 % similar Isopropyl acetate108-21-439 % similar 2,3-Diacetoxybutane1114-92-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook